1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine

C6H12N4 — CID 130320508

IUPAC1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine
SMILES[H]/N=C(\N)N(N)/C=C\C=C/C
InChIInChI=1S/C6H12N4/c1-2-3-4-5-10(9)6(7)8/h2-5H,9H2,1H3,(H3,7,8)/b3-2-,5-4-
InChIKeyIJQXSEHESSJAPW-LDIADDGTSA-N
MW140.19 g/mol
LogP0.15
Rot. Bonds2

About 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine

1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine (PubChem CID 130320508) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine.

Molecular Properties

Compound Name1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine
PubChem CID130320508
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine
SMILES[H]/N=C(\N)N(N)/C=C\C=C/C
InChIInChI=1S/C6H12N4/c1-2-3-4-5-10(9)6(7)8/h2-5H,9H2,1H3,(H3,7,8)/b3-2-,5-4-
InChIKeyIJQXSEHESSJAPW-LDIADDGTSA-N
XLogP0.15
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine?
The IUPAC name of 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine (CID 130320508) is 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine.
What is the SMILES notation for 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine?
The canonical SMILES for 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine is [H]/N=C(\N)N(N)/C=C\C=C/C.
What is the InChIKey of 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine?
The InChIKey is IJQXSEHESSJAPW-LDIADDGTSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-3-4-5-10(9)6(7)8/h2-5H,9H2,1H3,(H3,7,8)/b3-2-,5-4-.
What are the key properties of 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine?
1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine has a molecular weight of 140.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine is sourced from PubChem (CID 130320508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).